(7E)-3-(4-bromophenyl)-7-(furan-2-ylmethylidene)-2-phenyl-3a,4,5,6-tetrahydro-3H-indazole
Formula:C24H21N2OBr
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(7E)-3-(4-bromophenyl)-7-(furan-2-ylmethylidene)-2-phenyl-3a,4,5,6-tetrahydro-3H-indazole is not a drug-like molecule.
| MolName | (7E)-3-(4-bromophenyl)-7-(furan-2-ylmethylidene)-2-phenyl-3a,4,5,6-tetrahydro-3H-indazole |
| MolecularFormula | C24H21N2OBr |
| Smiles | Brc1ccc(C(C2CCC3)N(c4ccccc4)N=C2/C3=C/c2ccco2)cc1 |
| InChI | InChI=1S/C24H21BrN2O/c25-19-13-11-17(12-14-19)24-22-10-4-6-18(16-21-9-5-15-28-21)23(22)26-27(24)20-7-2-1-3-8-20/h1-3,5,7-9,11-16,22,24H,4,6,10H2 |
| InChIK | RZJCTHGSILXXSP-UHFFFAOYSA-N |
| TotalMolweight | 433.348 |
| Molweight | 433.348 |
| MonoisotopicMass | 432.083724 |
| CLogP | 6.2202 |
| CLogS | -5.851 |
| H Acceptors | 3 |
| TotalSurfaceArea | 298.36 |
| Relative PSA | 0.097768 |
| PolarSurfaceArea | 28.74 |
| Druglikeness | -2.066 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| StereoCon | unknown chirality |
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1 - (7E)-3-(4-bromophenyl)-7-(furan-2-ylmethylidene)-2-phenyl-3a,4,5,6-tetrahydro-3H-indazole | 2 - (7E)-3-(4-bromophenyl)-7-(furan-2-ylmethylidene)-2-phenyl-3a,4,5,6-tetrahydro-3H-indazole
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